tert-butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate

tert-butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate

CAS: 943750-38-7

Formula: C15H20BrNO2

SMILES: CC(C)(C)OC(=O)N1CCCC1C1=CC=C(Br)C=C1

IUPAC: tert-butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate

InChI: InChI=1/C15H20BrNO2/c1-15(2,3)19-14(18)17-10-4-5-13(17)11-6-8-12(16)9-7-11/h6-9,13H,4-5,10H2,1-3H3

Composition: C (55.23%), H (6.18%), Br (24.49%), N (4.29%), O (9.81%)

Molar Mass: 326.234

Atom Count: 39

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	325.067742
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	PZDPUQUIZKCNOF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.14
Topological Polar Surface Area	29.54
Polarizability	30.83
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<2 Days	943750-38-7		$179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70